3-(cyclopropylmethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];tris(2,2,2-trifluoroacetic acid)

C32H36F9N7O6 — CID 155831222

About 3-(cyclopropylmethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];tris(2,2,2-trifluoroacetic acid)

3-(cyclopropylmethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (PubChem CID 155831222) has the molecular formula C32H36F9N7O6 and a molecular weight of 785.66 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];tris(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 3-(cyclopropylmethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 155831222
• Molecular Formula: C32H36F9N7O6
• Molecular Weight: 785.66 g/mol
• Exact Mass: 785.26
• IUPAC Name: 3-(cyclopropylmethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
• SMILES: Cc1cccc(CN2Cc3c(nc(C)n3CC3CC3)C3(CCN(c4ncccn4)CC3)C2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C26H33N7.3C2HF3O2/c1-19-5-3-6-22(29-19)16-31-17-23-24(30-20(2)33(23)15-21-7-8-21)26(18-31)9-13-32(14-10-26)25-27-11-4-12-28-25;3*3-2(4,5)1(6)7/h3-6,11-12,21H,7-10,13-18H2,1-2H3;3*(H,6,7)
• InChIKey: DVPMAMLMSPKMDS-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 174.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.66
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?

The IUPAC name of 3-(cyclopropylmethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (CID 155831222) is 3-(cyclopropylmethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];tris(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 3-(cyclopropylmethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 3-(cyclopropylmethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is Cc1cccc(CN2Cc3c(nc(C)n3CC3CC3)C3(CCN(c4ncccn4)CC3)C2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 3-(cyclopropylmethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?

The InChIKey is DVPMAMLMSPKMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7.3C2HF3O2/c1-19-5-3-6-22(29-19)16-31-17-23-24(30-20(2)33(23)15-21-7-8-21)26(18-31)9-13-32(14-10-26)25-27-11-4-12-28-25;3*3-2(4,5)1(6)7/h3-6,11-12,21H,7-10,13-18H2,1-2H3;3*(H,6,7).

What are the key properties of 3-(cyclopropylmethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?

3-(cyclopropylmethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];tris(2,2,2-trifluoroacetic acid) has a molecular weight of 785.66 g/mol, XLogP of 5.55, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopropylmethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155831222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).